[2-(4-chlorophenyl)-1,3-dioxan-5-yl] 4-[(4-butoxyphenyl)methylideneamino]benzoate

Systemtic Name: [2-(4-chlorophenyl)-1,3-dioxan-5-yl] 4-[(4-butoxyphenyl)methylideneamino]benzoate Openeye Name: [2-(4-chlorophenyl)-1,3-dioxan-5-yl] 4-[(4-butoxyphenyl)methyleneamino]benzoate CAS Name: 4-[(4-butoxyphenyl)methylideneamino]benzoic acid [2-(4-chlorophenyl)-1,3-dioxan-5-yl] ester IUPAC Name: [2-(4-chlorophenyl)-1,3-dioxan-5-yl] 4-[(4-butoxyphenyl)methylideneamino]benzoate Traditional Name: 4-[(4-butoxybenzylidene)amino]benzoic acid [2-(4-chlorophenyl)-1,3-dioxan-5-yl] ester Formula: C28H28ClNO5 MolecularWeight: 493.97862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)OC3COC(OC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)OC3COC(OC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28ClNO5/c1-2-3-16-32-25-14-4-20(5-15-25)17-30-24-12-8-21(9-13-24)27(31)35-26-18-33-28(34-19-26)22-6-10-23(29)11-7-22/h4-15,17,26,28H,2-3,16,18-19H2,1H3